2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide

C13H20N4 — CID 24705538

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C13H20N4/c1-11-3-2-4-12(9-11)17-7-5-16(6-8-17)10-13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15)
InChIKeyVZCZMBAUGMIABM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide

2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide (PubChem CID 24705538) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
PubChem CID24705538
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C13H20N4/c1-11-3-2-4-12(9-11)17-7-5-16(6-8-17)10-13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15)
InChIKeyVZCZMBAUGMIABM-UHFFFAOYSA-N
XLogP1.05
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanimidamide
CID 43187281
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
potassium trifluoro-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-en-2-yl]boranuide
CID 106745610
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-imine
CID 63178900
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
CID 55064141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide (CID 24705538) is 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
The InChIKey is VZCZMBAUGMIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-3-2-4-12(9-11)17-7-5-16(6-8-17)10-13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide has a molecular weight of 232.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 24705538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).